CID 15956027

6-(4-bromophenyl)-2-cyclohexyl-5-(tetrahydropyran-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C22H26BrN3OS
SMILES
C1CCC(CC1)C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)Br)CC5CCOCC5
InChI
InChI=1S/C22H26BrN3OS/c23-18-8-6-16(7-9-18)20-19(14-15-10-12-27-13-11-15)26-22(24-20)28-21(25-26)17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-14H2
InChIKey
XFLJMRACSSXSAK-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)-2-cyclohexyl-5-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

459.098 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.10528 196.5
[M+Na]+ 482.08722 206.3
[M-H]- 458.09072 208.8
[M+NH4]+ 477.13182 209.3
[M+K]+ 498.06116 195.1
[M+H-H2O]+ 442.09526 195.5
[M+HCOO]- 504.09620 205.2
[M+CH3COO]- 518.11185 207.1
[M+Na-2H]- 480.07267 193.5
[M]+ 459.09745 213.3
[M]- 459.09855 213.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.